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Science China materials 2023年第9期66卷 3381-3400页

作者：蔡世昌安宇冯亚刚段磊张寒露张猛吴佳宾唐浩林 School of Materials Science and Engineering Henan University of TechnologyZhengzhou 450001China Department of Chemistry Tsinghua UniversityBeijing 100084China Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong LaboratoryXianhu Hydrogen ValleyFoshan 528200China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

近年来,能源短缺问题日益突出,传统化石燃料使用过程中排放的二氧化碳大大加剧了全球变暖.锌空气电池作为一种新型能源,由于其低成本、高比能量密度、高安全性和环境友好等优点而受到广泛关注.然而,锌空气电池的发展速度缓慢,一个主要... 详细信息

近年来,能源短缺问题日益突出,传统化石燃料使用过程中排放的二氧化碳大大加剧了全球变暖.锌空气电池作为一种新型能源,由于其低成本、高比能量密度、高安全性和环境友好等优点而受到广泛关注.然而,锌空气电池的发展速度缓慢,一个主要原因是阴极空气催化剂的催化效率低和稳定性差.本文总结了用于空气阴极的多孔碳基催化剂的最新研究进展.在对锌空气电池进行简要介绍后,从孔结构和杂原子掺杂两方面介绍了碳载体的结构和组成.根据孔径大小:微孔、介孔和大孔,详细介绍了锌空气电池中多孔碳的设计和制备.此外,还根据氮、氟、硫、磷和硼等杂原子类别,分别讨论了杂原子掺杂的合成策略以及相应电池性能.最后,本文对锌空气电池未来发展过程中的挑战和机遇进行了展望.

关键词：锌空气电池碳载体能源短缺问题碳基催化剂化石燃料杂原子掺杂多孔碳新型能源

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Trace of Atomically Dispersed Pd Enables Unprecedented Butadiene Semihydrogenation Performance Over Copper Catalyst

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ACS Catalysis 2025年第5期15卷 3810-3822页

作者： Zhao Wang Hao Yuan Jian Tao Shu-Lin Liu Ying Hong Zhi-Yi Hu Jian Zhang Bao-Lian Su The State Key Laboratory of Advanced Technology for Material Synthesis and Processing Wuhan University of Technology Wuhan Hubei 430070 P. R. China State Key Laboratory of Solidification Processing School of Materials Science and Engineering Northwestern Polytechnical University Xi’an Shaanxi 710000 P. R. China The State Key Laboratory of Advanced Technology for Material Synthesis and Processing Wuhan University of Technology Wuhan Hubei 430070 P. R. China；Laboratory of Inorganic Materials Chemistry (CMI) University of Namur 61 rue de Bruxelles Namur B-5000 Belgium

Semihydrogenation plays a key role in industrial hydrorefining of light alkenes, with a market above 400 billion by 2027. The high cost of commercial palladium-based catalysts strongly calls for innovation but with great challenges. Herein, copper nanoparticles decorated with a minimized ppm of Pd are developed through a chemical plating process to integrate the catalytic advantages of copper and palladium for achieving maximized catalysis in the semihydrogenation of a fatal impurity of butadiene in alkene feedstocks. The developed Pd–Cu catalyst (i.e., 114 ppm of Pd in Pd0.0033Cu1/TiO2) exhibits an unprecedented catalytic performance superior to commercial Pd/Al2O3, with 100% butene selectivity above 90% of butadiene conversion over 130 h on stream at 90 °C. Further exploration reveals that the atomically dispersed Pd on Cu nanoparticles, obtained at ultralow ppm levels of Pd loading, induces a hidden but critical H2trap, which concentrates H2on the Pd site for further H2dissociation that offers intermediate hydrogen atoms to the tandem butadiene semihydrogenation over the third layer of Cu atoms neighboring Pd through hydrogen spillover. Moreover, a threshold on Pd density was identified at Pd/Cu surficial atomic ratio of 1/138 (i.e., Pd0.0033Cu1/TiO2) for maximizing butadiene semihydrogenation performance, based on an extreme collaboration between Pd for H2dissociation and Cu for butadiene hydrogenation. This work provides important guidance for developing noble metal-saving catalysts in industrial applications.

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Understanding the creep behaviors and mechanisms of Mg-Gd-Zn alloys via machine learning

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Journal of Magnesium and Alloys 2024年第8期12卷 3281-3291页

作者： Shuxia Ouyang Xiaobing Hu Qingfeng Wu Jeong Ah Lee Jae Heung Lee Chenjin Zhang Chunhui Wang Hyoung Seop Kim Guangyu Yang Wanqi Jie Graduate Institute of Ferrous and Eco Materials Technology(GIFT) Pohang University of Science and Technology(POSTECH)Pohang 37673Republic of Korea State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an 710072China Xi’an Rare Metal Materials lnstitute Co.Ltd Xi’an 710016China Department of Materials Science and Engineering Pohang University of Science and Technology(POSTECH)Pohang 37673Republic of Korea DepartmentAdvanced Institute for Materials Research(WPI-AIMR) Tohoku UniversitySendai 980-8577Japan Institute for Convergence Research and Education in Advanced Technology Yonsei UniversitySeoul 03722South Korea

Mg-Gd-Zn based alloys have better creep resistance than other Mg alloys and attract more attention at elevated ***,the multiple alloying elements and various heat treatment conditions,combined with complex microstructural evolution during creep tests,bring great challenges in understanding and predicting creep *** this study,we proposed to predict the creep properties and reveal the creep mechanisms of Mg-Gd-Zn based alloys by machine *** the one hand,the minimum creep rates were effectively predicted by using a support vector regression *** complex and nonmonotonic effects of test temperature,test stress,alloying elements,and heat treatment conditions on the creep properties were *** the other hand,the creep stress exponents and creep activation energies were calculated by machine learning to analyze the variation of creep mechanisms,based on which the constitutive equations of Mg-Gd-Zn based alloys were *** study introduces an efficient method to comprehend creep behaviors through machine learning,offering valuable insights for the future design and selection of Mg alloys.

关键词： Mg-Gd-Zn based alloys Machine learning Creep rate Creep mechanism Constitutive equation

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Processable Potassium Metal Anode for Stable Batteries

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Energy & Environmental materials 2022年第4期5卷 1278-1284页

作者： Zhenghang Wei Aoxuan Wang Xuze Guan Guojie Li Zhiwei Yang Chengde Huang Jing Zhang Libin Ren Jiayan Luo Xingjiang Liu Key Laboratory for Green Chemical Technology of Ministry of Education State Key Laboratory of Chemical EngineeringSchool of Chemical Engineering and TechnologyTianjin UniversityTianjin 300072China Key Laboratory of Materials Processing and Mold Zhengzhou UniversityMinistry of EducationZhengzhou 450002China Jiangxi Key Laboratory of Nanobiomaterials Institute of Advanced MaterialsEast China Jiaotong UniversityNanchang 330013China National Key Laboratory of Science and Technology on Power Sources Tianjin Institute of Power SourcesTianjin 300384China Shanghai Key Lab of Advanced High-Temperature Materials and Precision Forming School of Materials Science and EngineeringShanghai Jiao Tong UniversityShanghai 200240China

The future of high-energy density electrochemical energy storage systems relies on the advancement of rechargeable batteries that utilize reactive metals as *** the alkaline metal,secondary battery systems because of abundant resource,high capacity and low redox potential,potassium(K)metal secondary battery(KMB)is expected to replace the existing lithiumion battery as a versatile platform for high-energy density,cost-effective energy storage ***,the difficulty in processing metal K results in nonstandard electrodes and hinders the development of ***,the mobility of the K metal anode due to its unique lowmelting point character at elevated temperatures in practical conditions leads to severe instability and risks in chemical/electrochemical ***,we fabricate a processable and moldable composite K metal anode by encapsulating K into reduced graphene oxide(rGO).The composite electrode can be engineered into various shapes discretionarily with precise sizes and stabilize the K metal anode at relatively high ***,the composite anode exhibits excellent cycling performance at high current density(8 mA cm^(-2)) with dendrite-free *** with a Prussian blue cathode,the rGO-K composite anode shows much improved electrochemical performance and extended lifetime.

关键词： K metal anode K metal battery processibility reduced graphene oxide stability

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Three‑Dimensional Numerical Study on the Metal Rotating Spray Transfer Process of High‑Current GMAW

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Chinese Journal of Mechanical Engineering 2022年第6期35卷 234-246页

作者： Lei Xiao Ding Fan Jiankang Huang School of Materials Science and Engineering Lanzhou Jiaotong UniversityLanzhou 730070China State Key Laboratory of Advanced Processing and Recycling of Non‑ferrous Metals Lanzhou University of TechnologyLanzhou 730050China School of Materials Science and Engineering Lanzhou University of TechnologyLanzhou 730050China

A three-dimensional numerical model based on the volume-of-fluid(VOF)method is typically preferred for studying high-current gas metal arc welding(GMAW)metal transfer mechanism and then controlling *** is informed that the rotating spray transfer is extremely complicated,and some researchers have focused on simplified models without considering the energy conservation to make analysis manageable for the unstable metal transfer *** our created numerical model,the metal transfer of high-current GMAW with shielding gas of different conductivities has been studied by analyzing acting forces and fluid flows in the metal liquid column,especially for the contributions of the self-induced electromagnetic force,equivalent volume force of the capillary pressure of the surface tension(Named surface tension force in this work),static arc *** is found that the unbalanced electromagnetic force greatly promotes the metal rotating motion in 500 A metal inert gas(MIG)welding with pure argon shielding gas and it pushes the metal liquid column to *** the arc constricting effect in active shielding gas by simply changing the arc conductivity,it is found that the metal liquid column no longer rotates,it turns to swing since the unbalanced electromagnetic force is large enough to break the rotating *** calculated results of the metal liquid column deflected angle and rotating/swing frequency agree well with the experiment of high-speed camera observations.

关键词： Gas metal arc welding Rotating spray transfer Three-dimensional model Electromagnetic force Surface tension

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Shear induced deformation twinning evolution in thermoelectric InSb

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npj Computational materials 2021年第1期7卷 1008-1016页

作者： Zhongtao Lu Ben Huang Guodong Li Xiaolian Zhang Qi An Bo Duan Pengcheng Zhai Qingjie Zhang William A.Goddard III Hubei Key Laboratory of Theory and Application of Advanced Materials Mechanics School of ScienceWuhan University of TechnologyWuhanPR China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhanPR China Department of Chemical and Materials Engineering University of Nevada RenoRenoNVUSA Materials and Process Simulation Center California Institute of TechnologyPasadenaCAUSA

Twin boundary(TB)engineering has been widely applied to enhance the strength and plasticity of metals and alloys,but is rarely adopted in thermoelectric(TE)*** previous first-principles results showed that nanotwins can strengthen TE Indium Antimony(InSb)through In–Sb covalent bond rearrangement at the ***,we further show that shear-induced deformation twinning enhances plasticity of *** demonstrate this by employing large-scale molecular dynamics(MD)to follow the shear stress response of flawless single-crystal InSb along various slip *** observed that the maximum shear strain for the (111)[112] slip system can be up to 0.85 due to shear-induced deformation *** attribute this deformation twinning to the“catching bond”involving breaking and re-formation of In–Sb bond in *** finding opens up a strategy to increase the plasticity of TE InSb by deformation twinning,which is expected to be implemented in other isotypicⅢ–V semiconductors with zinc blende structure.

关键词： deformation plasticity Shear

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Electronic structures and strengthening mechanisms of superhard high-entropy diborides

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Rare Metals 2023年第2期42卷 614-628页

作者： Gang Yao William-Yi Wang Pei-Xuan Li Ke Ren Jia-Qi Lu Xing-Yu Gao De-Ye Lin Jun Wang Yi-Guang Wang Hai-Feng Song Zi-Kui Liu Jin-Shan Li State Key Laboratory of Solidification Processing Northwestern Polytechnical UniversityXi’an710072China Innovation Center NPU ChongqingChongqing401135China Laboratory of Computational Physics Institute of Applied Physics and Computational MathematicsBeijing100088China Institute of Advanced Structure Technology Beijing Institute of TechnologyBeijing100081China Department of Materials Science and Engineering The Pennsylvania State UniversityUniversity ParkPA16802USA

High-entropy diborides(HEBs)have attracted extensive research due to their potential ultra-high *** the present work,the effects of transition metals(TM)on lattice parameters,electron work function(EWF),bonding charge density,and hardness of HEBs are comprehensively investigated by the first-principles calculations,including(TiZrHfNbTa)B_(2),(TiZrHfNbMo)B_(2),(TiZrHfTaMo)B_(2),(TiZrNbTaMo)B_(2),and(TiHfNbTaMo)B_(2).It is revealed that the disordered TM atoms result in a severe local lattice distortion and the formation of weak *** view of bonding charge density,it is understood that the degree of electron contribution of TM atoms directly affects the bonding strength of the metallic layer,contributing to the optimized hardness of ***,the proposed power-law-scaled relationship integrating the EWF and the grain size yields an excellent agreement between our predicted results and those reported experimental *** is found that the HEBs exhibit relatively high hardness which is higher than those of single transition metal *** particular,the hardness of(TiZrNbTaMo)B_(2)and(TiHfNbTaMo)B_(2)can be as high as29.15 and 28.02 GPa,*** work provides a rapid strategy to discover/design advanced HEBs efficiently,supported by the coupling hardening mechanisms of solid solution and grain refinement based on the atomic and electronic interactions.

关键词： High-entropy diborides(HEBs) Hardness Electronic structure Lattice distortion Power-law

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Interface passivation engineering for hybrid perovskite solar cells

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materials Reports(Energy) 2021年第4期1卷 22-33页

作者： Wenjian Shen Yao Dong Fuzhi Huang Yi-Bing Cheng Jie Zhong Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Foshan528216Guangdong ProvincePR China State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan430070PR China

The allure of high efficiency and low-temperature solution-processed organic-inorganic hybrid perovskite solar cells(PSCs)are inspiring scientists to seek for its *** passivation engineering has become an effective way to further enhance the efficiency and stability of PSCs by defect passivation,reduces the charge recombination and ion migration initiation and hysteresis control,***,we have summarized the effects and recent research progress of interface passivation engineering in *** passivation layers can be realized by using the solution and/or vacuum evaporation processes which are very adaptable to varied materials with different properties and fabrication processes for enhanced photovoltaic performance and stability.

关键词： Perovskite solar cells Charges recombination Interface passivation engineering Hysteresis effect PSCs stability Solution processes Vacuum evaporation

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Novel smart coaxial electrospinning textiles for efficient thermal interface management and electromagnetic compatibility in electronics

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Chemical Engineering Journal 2023年第1期472卷

作者： Song, Shaokun Ai, Hong Lv, Linda Guo, Yi Han, Ting Dong, Lijie Center for Smart Materials and Devices State Key Laboratory of Advanced Technology for Materials Synthesis and Processing and School of Materials Science and Engineering Wuhan University of Technology Wuhan430070 China

Phase change materials (PCMs) have attracted considerable attention for their energy storage and thermoregulatory properties. However, the solid–liquid leakage, low thermal conductivity, and single functionality of PCMs hinder their applications to electronic equipment. In this study, polyvinyl alcohol (PVA) and polyethylene oxide/ferric oxide (PEO/Fe3O4)-based core–sheath textiles are prepared using an eco-friendly coaxial electrospinning technique and simple steam crosslinking. The composite phase change fibers (CPCFs) and magnetic composite phase change fibers (MCPCFs) produced in this way show ultrahigh encapsulation ratios of 78.02 wt% and 69.11 wt%, respectively, and high phase change enthalpies of 106.96 J g−1 and 94.75 J g−1, respectively. The addition of Fe3O4 (20 wt%) introduces a saturation magnetization of 9.5 emu g−1, thereby realizing 3 dB electromagnetic shielding performance. The textiles exhibit excellent flexibility and can be formed into complex shapes. Owing to their core–sheath structure, the CPCFs and MCPCFs exhibit outstanding structural and thermal stabilities during 100 thermal cycles. Furthermore, the mechanical properties of the CPCF and MCPCF textiles can be enhanced by crosslinking. © 2023 Elsevier B.V.

关键词： Phase change materials

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Additive Engineering in Spray Enables Efficient Methylammonium-Free Wide-Bandgap Perovskite Solar Cells

SSRN

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SSRN 2023年

作者： Chen, Xiao Geng, Cong Yu, Xinxin Feng, Yishuai Liang, Cheng Peng, Yong Cheng, Yibing State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology Hubei Wuhan430070 China

Spray coating is an emerging technique, paving the way for the commercialization of perovskite. However, it still faces challenges in the preparation of wide-bandgap (WBG) perovskite solar cells (PSCs) for tandem photovoltaic devices. Applying a two-step evaporate-spray method, and an additive engineering strategy, where n-propylammonium chloride is introduced in spray processing, we fabricate efficient and stable methylammonium-free (MA-free) WBG PSCs. The propylammonium cation plays a role in passivating grain boundaries, which resulted in the reduction of vacancy defects on the surface of films. Cl- plays a big part in the crystal growth process. After the addition of PACl, preferred crystalline orientation, larger grain size, and reduced trap density in perovskite films are obtained. Finally, the champion WBG PSC (Energy gap (Eg), Eg≈1.68 eV) delivers a power conversion efficiency (PCE) over 19%, which is the highest efficiency of the WBG PSCs prepared by the evaporate-spray method, as compared to pristine devices with the highest PCE of 16.59%. Additionally, the barrier against moisture formed at the surface of films significantly enhances humidity stability of the photovoltaic (PV) device. © 2023, The Authors. All rights reserved.

关键词： Additives

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